[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoyl] (2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoyl] (2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-azanylpropanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate Openeye Name: [(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-4-amino-4-oxo-butanoyl]amino]propanoyl]amino]-4-amino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxo-butanoyl]amino]propanoyl]amino]-4-amino-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxo-butanoyl] (2S)-1-[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid [(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-mercapto-1-oxopropyl]amino]-4-amino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-amino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-amino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-amino-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-amino-1,4-dioxobutyl] ester IUPAC Name: [(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl] (2S)-1-[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-keto-butanoyl]pyrrolidine-2-carboxylic acid [(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-mercapto-propanoyl]amino]-4-amino-4-keto-butanoyl]amino]propanoyl]amino]-4-amino-4-keto-butanoyl]prolyl]amino]-4-amino-4-keto-butanoyl]amino]propanoyl]amino]-4-amino-4-keto-butanoyl]prolyl]amino]-4-amino-4-keto-butanoyl] ester Formula: C53H81N19O21S MolecularWeight: 1352.38994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)OC(=O)C(CC(=O)N)NC(=O)C2CCCN2C(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)OC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)C)N

InChI

InChI=1S/C53H81N19O21S/c1-21(54)41(80)66-27(16-37(57)76)51(90)72-13-7-10-34(72)53(92)93-52(91)30(19-40(60)79)69-48(87)33-9-6-12-71(33)50(89)29(18-39(59)78)68-43(82)23(3)62-45(84)26(15-36(56)75)65-47(86)32-8-5-11-70(32)49(88)28(17-38(58)77)67-42(81)22(2)61-44(83)25(14-35(55)74)64-46(85)31(20-94)63-24(4)73/h21-23,25-34,94H,5-20,54H2,1-4H3,(H2,55,74)(H2,56,75)(H2,57,76)(H2,58,77)(H2,59,78)(H2,60,79)(H,61,83)(H,62,84)(H,63,73)(H,64,85)(H,65,86)(H,66,80)(H,67,81)(H,68,82)(H,69,87)/t21-,22-,23-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1