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tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-amino-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate | CAS No. 1613552-03-6

tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-amino-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate

Basic Information

Chemical_Structure_Of

CAS Number

1613552-03-6

Molecular Formula

C32H49N5O5

Molecular Weight

583.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

C(N[C@H]1C2=C(C=CC=C2)CCC1)(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@H](C)N(C(OC(C)(C)C)=O)C

InChI

1S/C32H49N5O5/c1-20(36(5)31(41)42-32(2,3)4)28(38)35-27(22-13-7-6-8-14-22)30(40)37-19-23(33)18-26(37)29(39)34-25-17-11-15-21-12-9-10-16-24(21)25/h9-10,12,16,20,22-23,25-27H,6-8,11,13-15,17-19,33H2,1-5H3,(H,34,39)(H,35,38)/t20-,23-,25+,26-,27-/m0/s1

InChIKey

MQXRDFRHLFKZNZ-JKGXFXTOSA-N

LogP

3.4289000000000023

Topological Polar Surface Area

134.07 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Synonyms & References

English

L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-4-amino-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-, (4S)-
A 410099.1, amine-Boc

MDL Number

MFCD34474136

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 1613552-03-6

ShangHaiMaiKeLinShengHuaKeJi Inc

CAS Number: 1613552-03-6

Shanghai Jieshukai Biotechnology Co., Ltd.

CAS Number: 1613552-03-6

Shanghai Yuansi Biotechnology Co., Ltd.

CAS Number: 1613552-03-6

All Chemistry Inc.

CAS Number: 1613552-03-6