2-[[2-[[2-[[2-[[2-[2-[2-[[2-[[4-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2-[2-[[2-[[4-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-1,4-dioxobutyl)amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoylamino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[4-amino-2-[(2,4-diamino-4-keto-butanoyl)amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butyric acid Formula: C44H70N12O16 MolecularWeight: 1023.0974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C44H70N12O16/c1-7-21(4)34(43(70)52-26(13-20(2)3)39(66)53-29(18-57)41(68)54-30(19-58)42(69)56-35(23(6)59)44(71)72)55-36(63)22(5)49-33(62)17-48-38(65)27(14-24-11-9-8-10-12-24)51-40(67)28(16-32(47)61)50-37(64)25(45)15-31(46)60/h8-12,20-23,25-30,34-35,57-59H,7,13-19,45H2,1-6H3,(H2,46,60)(H2,47,61)(H,48,65)(H,49,62)(H,50,64)(H,51,67)(H,52,70)(H,53,66)(H,54,68)(H,55,63)(H,56,69)(H,71,72)