(4S)-4-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-[[(1S)-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-[[(1S)-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-carboxy-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C32H55N11O14 MolecularWeight: 817.8444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N

InChI

InChI=1S/C32H55N11O14/c1-4-15(2)25(30(55)42-19(31(56)57)6-5-11-36-32(34)35)43-29(54)20(14-44)40-22(46)13-38-27(52)17(7-9-23(47)48)41-28(53)18(8-10-24(49)50)39-21(45)12-37-26(51)16(3)33/h15-20,25,44H,4-14,33H2,1-3H3,(H,37,51)(H,38,52)(H,39,45)(H,40,46)(H,41,53)(H,42,55)(H,43,54)(H,47,48)(H,49,50)(H,56,57)(H4,34,35,36)/t15-,16-,17-,18-,19-,20-,25-/m0/s1