(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-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]ethanoylamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-5-azanyl-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]ethanoylamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[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]pentanoyl]amino]-3-methyl-pentanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-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]amino]-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-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]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[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]pentanoyl]amino]-3-methyl-pentanoyl]amino]valeric acid Formula: C54H84N16O13 MolecularWeight: 1165.34416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=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@@H](C(=O)O)NC(=O)[C@H](C(C)CC)NC(=O)[C@H](CCCN)NC(=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/c1-7-14-38(53(82)83)65-51(80)42(28(3)8-2)68-47(76)37(20-12-21-55)64-41(73)26-61-50(79)43(30(5)71)70-52(81)44(31(6)72)69-49(78)40(24-34-25-59-27-62-34)67-48(77)39(23-33-17-11-16-32-15-9-10-18-35(32)33)66-45(74)29(4)63-46(75)36(56)19-13-22-60-54(57)58/h9-11,15-18,25,27-31,36-40,42-44,71-72H,7-8,12-14,19-24,26,55-56H2,1-6H3,(H,59,62)(H,61,79)(H,63,75)(H,64,73)(H,65,80)(H,66,74)(H,67,77)(H,68,76)(H,69,78)(H,70,81)(H,82,83)(H4,57,58,60)/t28?,29-,30+,31+,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1