(3S)-3-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-[[(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyliden

Systemtic Name: (3S)-3-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-[[(2S)-1-[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-4-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyliden Openeye Name: (3S)-3-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-[[(1S)-1-[(2S)-2-[[(1S)-4-guanidino-1-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-hydroxy-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-[(2S)-2-[[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]prolyl]amino]acetyl]amino]-4-[[(1S)-1-[(2S)-2-[[(1S)-4-guanidino-1-[[(1S)-1-[[(1S)-3-hydroxy-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-hydroxy-3-keto-propyl]amino]-4-keto-butyric acid Formula: C51H85N17O18S MolecularWeight: 1256.3887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H85N17O18S/c1-24(2)17-26(52)40(76)62-28(10-6-14-58-51(55)56)47(83)67-15-7-11-34(67)45(81)59-22-36(69)60-30(19-37(70)71)43(79)65-32(21-39(74)75)48(84)68-16-8-12-35(68)46(82)61-27(9-5-13-57-50(53)54)41(77)63-29(18-25(3)4)42(78)64-31(20-38(72)73)44(80)66-33(23-87)49(85)86/h24-35,87H,5-23,52H2,1-4H3,(H,59,81)(H,60,69)(H,61,82)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,80)(H,70,71)(H,72,73)(H,74,75)(H,85,86)(H4,53,54,57)(H4,55,56,58)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1