(2S)-2-[[(2R)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[3-methyl-2-[3-[methyl-[2-[4-(naphthalen-2-ylcarbamoyl)phenyl]ethanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[3-methyl-2-[3-[methyl-[2-[4-(naphthalen-2-ylcarbamoyl)phenyl]ethanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R)-5-guanidino-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[2-[4-(2-naphthylcarbamoyl)phenyl]acetyl]amino]-2-oxo-pyrrolidin-1-yl]pentanoyl]amino]-4-oxo-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[2-[4-[(2-naphthalenylamino)-oxomethyl]phenyl]-1-oxoethyl]amino]-2-oxo-1-pyrrolidinyl]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[2-[4-(naphthalen-2-ylcarbamoyl)phenyl]acetyl]amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-oxobutanoyl]amino]pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R)-5-guanidino-2-[[(2S)-4-hydroxy-4-keto-2-[[2-[2-keto-3-[methyl-[2-[4-(2-naphthylcarbamoyl)phenyl]acetyl]amino]pyrrolidino]-3-methyl-pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C46H61N9O10 MolecularWeight: 900.03084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)N1CCC(C1=O)N(C)C(=O)CC2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)N1CCC(C1=O)N(C)C(=O)CC2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C46H61N9O10/c1-6-27(4)39(43(62)52-34(25-38(57)58)42(61)51-33(12-9-20-49-46(47)48)41(60)53-35(45(64)65)22-26(2)3)55-21-19-36(44(55)63)54(5)37(56)23-28-13-15-30(16-14-28)40(59)50-32-18-17-29-10-7-8-11-31(29)24-32/h7-8,10-11,13-18,24,26-27,33-36,39H,6,9,12,19-23,25H2,1-5H3,(H,50,59)(H,51,61)(H,52,62)(H,53,60)(H,57,58)(H,64,65)(H4,47,48,49)/t27?,33-,34+,35+,36?,39?/m1/s1