(4S)-4-[[(2S)-6-azanyl-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-6-azanyl-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid Formula: C46H84N16O15 MolecularWeight: 1101.25736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C46H84N16O15/c1-6-24(4)36(62-44(75)35(23(2)3)61-38(69)26(49)20-32(50)64)43(74)54-21-33(65)56-27(12-7-9-17-47)40(71)59-30(15-16-34(66)67)39(70)55-25(5)37(68)57-29(14-11-19-53-46(51)52)41(72)58-28(13-8-10-18-48)42(73)60-31(22-63)45(76)77/h23-31,35-36,63H,6-22,47-49H2,1-5H3,(H2,50,64)(H,54,74)(H,55,70)(H,56,65)(H,57,68)(H,58,72)(H,59,71)(H,60,73)(H,61,69)(H,62,75)(H,66,67)(H,76,77)(H4,51,52,53)/t24-,25-,26-,27-,28-,29-,30-,31-,35-,36-/m0/s1