(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]-3-naphthalen-1-yl-propanoyl]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]-3-naphthalen-1-yl-propanoyl]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]-3-(1-naphthyl)propanoyl]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]-3-(1-naphthalenyl)-1-oxopropyl]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]-3-naphthalen-1-ylpropanoyl]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]-3-(1-naphthyl)propanoyl]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: C54H84N16O13 MolecularWeight: 1165.34416

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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(CC2=CC=CC3=CC=CC=C32)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](CC2=CC=CC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C54H84N16O13/c1-8-29(4)43(51(80)66-40(53(82)83)21-28(2)3)67-41(73)26-70(20-18-55)42(74)25-61-50(79)44(31(6)71)69-52(81)45(32(7)72)68-49(78)39(23-35-24-59-27-62-35)65-48(77)38(22-34-15-11-14-33-13-9-10-16-36(33)34)64-46(75)30(5)63-47(76)37(56)17-12-19-60-54(57)58/h9-11,13-16,24,27-32,37-40,43-45,71-72H,8,12,17-23,25-26,55-56H2,1-7H3,(H,59,62)(H,61,79)(H,63,76)(H,64,75)(H,65,77)(H,66,80)(H,67,73)(H,68,78)(H,69,81)(H,82,83)(H4,57,58,60)/t29?,30-,31+,32+,37-,38-,39-,40+,43-,44-,45-/m0/s1