2-[[2-[2-[[2-[2-[[4-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[2-[2-[[4-azanyl-2-[[2-(2-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-(alanylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-4-amino-4-keto-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetic acid Formula: C25H39N11O12 MolecularWeight: 685.64366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O)N

InChI

InChI=1S/C25H39N11O12/c1-11(26)21(44)35-13(2-12-4-28-10-32-12)25(48)36-14(3-17(27)39)22(45)29-5-18(40)33-15(8-37)23(46)30-6-19(41)34-16(9-38)24(47)31-7-20(42)43/h4,10-11,13-16,37-38H,2-3,5-9,26H2,1H3,(H2,27,39)(H,28,32)(H,29,45)(H,30,46)(H,31,47)(H,33,40)(H,34,41)(H,35,44)(H,36,48)(H,42,43)