2-[[2-[[2-[[2-[[1-[2-(2-azanylpropanoylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[1-[2-(2-azanylpropanoylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[1-[2-(2-aminopropanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[[1-[2-[(2-amino-1-oxopropyl)amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-(2-aminopropanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[1-[2-(alanylamino)acetyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C31H57N13O9 MolecularWeight: 755.86598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)CNC(=O)C(C)N

InChI

InChI=1S/C31H57N13O9/c1-16(2)13-20(26(49)41-19(29(52)53)8-5-11-38-31(35)36)42-27(50)21(15-45)43-25(48)18(7-4-10-37-30(33)34)40-28(51)22-9-6-12-44(22)23(46)14-39-24(47)17(3)32/h16-22,45H,4-15,32H2,1-3H3,(H,39,47)(H,40,51)(H,41,49)(H,42,50)(H,43,48)(H,52,53)(H4,33,34,37)(H4,35,36,38)