tert-butyl (3R)-3-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(2R)-1-[[(2S)-1-diazanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]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-[[(2R)-1-[[(2S)-1-diazanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]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)-1-[[(1S)-1-(hydrazinecarbonyl)-3-methyl-butyl]carbamoyl]pentyl]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-[[[(2R)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]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-[[(2R)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoate Traditional Name: (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-1-[[(1S)-1-carbazoyl-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pyrrolidino]-4-keto-butyric acid tert-butyl ester Formula: C36H56N8O7 MolecularWeight: 712.87924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(C)C)C(=O)NN)NC(=O)C1CCCN1C(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C36H56N8O7/c1-7-8-13-26(32(47)41-27(17-21(2)3)33(48)43-38)40-34(49)29-15-11-16-44(29)35(50)28(19-30(45)51-36(4,5)6)42-31(46)24(37)18-22-20-39-25-14-10-9-12-23(22)25/h9-10,12,14,20-21,24,26-29,39H,7-8,11,13,15-19,37-38H2,1-6H3,(H,40,49)(H,41,47)(H,42,46)(H,43,48)/t24-,26-,27+,28-,29+/m1/s1