(2S)-2-[[(2R,3S)-2-[[(2R)-1-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2R,3S)-2-[[(2R)-1-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2R,3S)-2-[[(2R)-1-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2R,3S)-2-[[[(2R)-1-[(2R)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2R,3S)-2-[[(2R)-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2R,3S)-2-[[(2R)-1-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C32H49N9O6 MolecularWeight: 655.78816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C)(C)N

Isomeric SMILES

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

InChI

InChI=1S/C32H49N9O6/c1-5-18(2)25(27(43)38-22(29(45)46)12-8-14-36-31(33)34)40-26(42)24-13-9-15-41(24)28(44)23(39-30(47)32(3,4)35)16-19-17-37-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,37H,5,8-9,12-16,35H2,1-4H3,(H,38,43)(H,39,47)(H,40,42)(H,45,46)(H4,33,34,36)/t18-,22-,23+,24+,25+/m0/s1