(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]pentyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C48H87N13O15 MolecularWeight: 1086.28248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C48H87N13O15/c1-8-26(6)38(46(73)61-39(27(7)62)47(74)57-30(14-10-12-22-50)43(70)59-37(25(4)5)48(75)76)60-44(71)32(17-19-35(53)64)55-41(68)29(13-9-11-21-49)54-42(69)31(16-18-34(52)63)56-45(72)33(23-24(2)3)58-40(67)28(51)15-20-36(65)66/h24-33,37-39,62H,8-23,49-51H2,1-7H3,(H2,52,63)(H2,53,64)(H,54,69)(H,55,68)(H,56,72)(H,57,74)(H,58,67)(H,59,70)(H,60,71)(H,61,73)(H,65,66)(H,75,76)/t26-,27+,28-,29-,30-,31-,32-,33-,37-,38-,39-/m0/s1