4-[[5-[bis(azanyl)methylideneamino]-2-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-5-[[1-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethanoic acid

Systemtic Name: 4-[[5-[bis(azanyl)methylideneamino]-2-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-5-[[1-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethanoic acid Openeye Name: acetic acid; 4-[[2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[1-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: acetic acid; 4-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopentyl]amino]-5-[[1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: acetic acid; 4-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-5-[[1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: acetic acid; 4-[[2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[1-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C38H63N11O12 MolecularWeight: 865.97332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1.CC(=O)O

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1.CC(=O)O

InChI

InChI=1S/C36H59N11O10.C2H4O2/c1-20(2)27(32(53)47-28(21(3)4)33(54)56-5)46-31(52)25(15-16-26(48)49)44-29(50)23(13-9-17-41-34(37)38)43-30(51)24(14-10-18-42-35(39)40)45-36(55)57-19-22-11-7-6-8-12-22;1-2(3)4/h6-8,11-12,20-21,23-25,27-28H,9-10,13-19H2,1-5H3,(H,43,51)(H,44,50)(H,45,55)(H,46,52)(H,47,53)(H,48,49)(H4,37,38,41)(H4,39,40,42);1H3,(H,3,4)