(3S)-3-[2-[[(2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-4-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-4-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-amino-1-oxoethyl)amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(glycylamino)hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-mercapto-propanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-4-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C32H53N11O17S MolecularWeight: 895.89172

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)CN

Isomeric SMILES

C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN

InChI

InChI=1S/C32H53N11O17S/c33-6-2-1-3-14(37-22(47)9-34)27(54)40-17(8-25(51)52)29(56)41-18(11-44)30(57)43-20(13-61)31(58)39-15(4-5-21(35)46)26(53)36-10-23(48)38-16(7-24(49)50)28(55)42-19(12-45)32(59)60/h14-20,44-45,61H,1-13,33-34H2,(H2,35,46)(H,36,53)(H,37,47)(H,38,48)(H,39,58)(H,40,54)(H,41,56)(H,42,55)(H,43,57)(H,49,50)(H,51,52)(H,59,60)/t14-,15-,16-,17-,18-,19-,20-/m0/s1