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

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[3-methyl-2-[3-[methyl-[5-(naphthalen-2-ylsulfamoylamino)-5-oxidanylidene-pentanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[5-(2-naphthylsulfamoylamino)-5-oxo-pentanoyl]amino]-2-oxo-pyrrolidin-1-yl]pentanoyl]amino]-4-oxo-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[5-(2-naphthalenylsulfamoylamino)-1,5-dioxopentyl]amino]-2-oxo-1-pyrrolidinyl]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-hydroxy-2-[[3-methyl-2-[3-[methyl-[5-(naphthalen-2-ylsulfamoylamino)-5-oxopentanoyl]amino]-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-oxobutanoyl]amino]pentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-4-hydroxy-4-keto-2-[[2-[2-keto-3-[[5-keto-5-(2-naphthylsulfamoylamino)pentanoyl]-methyl-amino]pyrrolidino]-3-methyl-pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C42H62N10O12S MolecularWeight: 931.06648

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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)CCCC(=O)NS(=O)(=O)NC2=CC3=CC=CC=C3C=C2

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)CCCC(=O)NS(=O)(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C42H62N10O12S/c1-6-25(4)36(39(59)47-30(23-35(55)56)38(58)46-29(13-10-19-45-42(43)44)37(57)48-31(41(61)62)21-24(2)3)52-20-18-32(40(52)60)51(5)34(54)15-9-14-33(53)50-65(63,64)49-28-17-16-26-11-7-8-12-27(26)22-28/h7-8,11-12,16-17,22,24-25,29-32,36,49H,6,9-10,13-15,18-21,23H2,1-5H3,(H,46,58)(H,47,59)(H,48,57)(H,50,53)(H,55,56)(H,61,62)(H4,43,44,45)/t25?,29-,30-,31-,32?,36?/m0/s1