2-[2-[[2-[[1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[[1-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[1-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[5-guanidino-2-[[1-[2-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]propanoyl]prolyl]amino]pentanoyl]amino]acetyl]amino]-3-hydroxy-butyric acid Formula: C35H56N10O9 MolecularWeight: 760.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C35H56N10O9/c1-19(2)16-25(43-29(48)23(36)17-22-10-6-5-7-11-22)31(50)41-20(3)33(52)45-15-9-13-26(45)32(51)42-24(12-8-14-39-35(37)38)30(49)40-18-27(47)44-28(21(4)46)34(53)54/h5-7,10-11,19-21,23-26,28,46H,8-9,12-18,36H2,1-4H3,(H,40,49)(H,41,50)(H,42,51)(H,43,48)(H,44,47)(H,53,54)(H4,37,38,39)