(2R)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-phenyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl-(2-azanylethyl)amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-phenyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl-(2-azanylethyl)amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[2-[2-aminoethyl-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-phenyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]-(2-aminoethyl)amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-phenylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]-(2-aminoethyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[2-[2-aminoethyl-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-phenyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C51H84N16O13 MolecularWeight: 1129.31206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)CN(CCN)C(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H](CC(C)C)C(=O)O)NC(=O)CN(CCN)C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C51H84N16O13/c1-8-28(4)40(48(77)63-37(50(79)80)21-27(2)3)64-38(70)25-67(20-18-52)39(71)24-58-47(76)41(30(6)68)66-49(78)42(31(7)69)65-46(75)36(22-33-23-56-26-59-33)62-45(74)35(17-16-32-13-10-9-11-14-32)61-43(72)29(5)60-44(73)34(53)15-12-19-57-51(54)55/h9-11,13-14,23,26-31,34-37,40-42,68-69H,8,12,15-22,24-25,52-53H2,1-7H3,(H,56,59)(H,58,76)(H,60,73)(H,61,72)(H,62,74)(H,63,77)(H,64,70)(H,65,75)(H,66,78)(H,79,80)(H4,54,55,57)/t28?,29-,30+,31+,34-,35-,36-,37+,40-,41-,42-/m0/s1