(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[3-methyl-2-[3-[methyl-[5-oxidanylidene-5-[[(E)-2-phenylethenyl]sulfamoylamino]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-oxidanylidene-5-[[(E)-2-phenylethenyl]sulfamoylamino]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-oxo-5-[[(E)-styryl]sulfamoylamino]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)-2-[[2-[3-[[1,5-dioxo-5-[[(E)-2-phenylethenyl]sulfamoylamino]pentyl]-methylamino]-2-oxo-1-pyrrolidinyl]-3-methyl-1-oxopentyl]amino]-4-hydroxy-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-oxo-5-[[(E)-2-phenylethenyl]sulfamoylamino]pentanoyl]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-[[(E)-styryl]sulfamoylamino]pentanoyl]-methyl-amino]pyrrolidino]-3-methyl-pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid Formula: C40H62N10O12S MolecularWeight: 907.04508

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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)NC=CC2=CC=CC=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)N/C=C/C2=CC=CC=C2

InChI

InChI=1S/C40H62N10O12S/c1-6-25(4)34(37(57)46-28(23-33(53)54)36(56)45-27(14-11-19-43-40(41)42)35(55)47-29(39(59)60)22-24(2)3)50-21-18-30(38(50)58)49(5)32(52)16-10-15-31(51)48-63(61,62)44-20-17-26-12-8-7-9-13-26/h7-9,12-13,17,20,24-25,27-30,34,44H,6,10-11,14-16,18-19,21-23H2,1-5H3,(H,45,56)(H,46,57)(H,47,55)(H,48,51)(H,53,54)(H,59,60)(H4,41,42,43)/b20-17+/t25?,27-,28-,29-,30?,34?/m0/s1