(4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[(2S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[(2S)-2-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[(2S)-2-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]prolyl]prolyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C42H70N12O12S MolecularWeight: 967.1434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)N3CCCC3C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C42H70N12O12S/c1-22(2)19-27(50-34(58)24(43)21-67)35(59)47-20-31(55)48-25(9-5-15-46-42(44)45)38(62)54-18-8-12-30(54)40(64)53-17-7-10-28(53)36(60)49-26(13-14-32(56)57)39(63)52-16-6-11-29(52)37(61)51-33(23(3)4)41(65)66/h22-30,33,67H,5-21,43H2,1-4H3,(H,47,59)(H,48,55)(H,49,60)(H,50,58)(H,51,61)(H,56,57)(H,65,66)(H4,44,45,46)/t24-,25-,26-,27-,28-,29-,30-,33-/m0/s1