(3S)-4-[[2-[[(2S)-6-azanyl-1-[[2-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[2-[[(2S)-6-azanyl-1-[[2-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-3-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pentyl]amino]-2-keto-ethyl]amino]-3-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]-4-keto-butyric acid Formula: C42H67N13O12S MolecularWeight: 978.12628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)O)N

InChI

InChI=1S/C42H67N13O12S/c1-24(44)40(65)55-18-9-14-31(55)39(64)54-30(21-34(58)59)36(61)49-22-32(56)50-26(12-6-7-16-43)35(60)48-23-33(57)51-29(20-25-10-4-3-5-11-25)38(63)52-27(13-8-17-47-42(45)46)37(62)53-28(41(66)67)15-19-68-2/h3-5,10-11,24,26-31H,6-9,12-23,43-44H2,1-2H3,(H,48,60)(H,49,61)(H,50,56)(H,51,57)(H,52,63)(H,53,62)(H,54,64)(H,58,59)(H,66,67)(H4,45,46,47)/t24-,26-,27-,28-,29-,30-,31-/m0/s1