2-[[(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]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(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]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(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-pentanoyl]amino]acetic acid CAS Name: 2-[[(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)-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(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)pentanoyl]amino]acetic acid Traditional Name: 2-[[(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-pentanoyl]amino]acetic acid Formula: C34H52N10O7 MolecularWeight: 712.83948

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H52N10O7/c1-5-19(2)27(30(49)41-23(12-8-14-38-33(35)36)28(47)40-18-26(45)46)43-29(48)25-13-9-15-44(25)31(50)24(42-32(51)34(3,4)37)16-20-17-39-22-11-7-6-10-21(20)22/h6-7,10-11,17,19,23-25,27,39H,5,8-9,12-16,18,37H2,1-4H3,(H,40,47)(H,41,49)(H,42,51)(H,43,48)(H,45,46)(H4,35,36,38)/t19-,23-,24+,25+,27+/m0/s1