tert-butyl (3R)-3-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclopentyl-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3R)-3-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclopentyl-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(1S)-1-carbonazidoyl-3-methyl-butyl]amino]-1-cyclopentyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoate CAS Name: (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[(2S)-2-[[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxopentan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxopentan-2-yl]amino]-1-cyclopentyl-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoate Traditional Name: (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(1S)-1-carbonazidoyl-3-methyl-butyl]amino]-1-cyclopentyl-2-keto-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid tert-butyl ester Formula: C37H53N9O7 MolecularWeight: 735.87282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N=[N+]=[N-])NC(=O)C(C1CCCC1)NC(=O)C2CCCN2C(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N=[N+]=[N-])NC(=O)[C@@H](C1CCCC1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C37H53N9O7/c1-21(2)17-27(33(49)44-45-39)41-35(51)31(22-11-6-7-12-22)43-34(50)29-15-10-16-46(29)36(52)28(19-30(47)53-37(3,4)5)42-32(48)25(38)18-23-20-40-26-14-9-8-13-24(23)26/h8-9,13-14,20-22,25,27-29,31,40H,6-7,10-12,15-19,38H2,1-5H3,(H,41,51)(H,42,48)(H,43,50)/t25-,27+,28-,29+,31-/m1/s1