(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]succinic acid Formula: C32H54N10O10S MolecularWeight: 770.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=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](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O)N

InChI

InChI=1S/C32H54N10O10S/c1-16(2)13-19(26(46)40-21(15-53)27(47)39-20(31(51)52)14-24(43)44)38-25(45)18(7-4-10-36-32(34)35)37-28(48)22-8-5-11-41(22)30(50)23-9-6-12-42(23)29(49)17(3)33/h16-23,53H,4-15,33H2,1-3H3,(H,37,48)(H,38,45)(H,39,47)(H,40,46)(H,43,44)(H,51,52)(H4,34,35,36)/t17-,18-,19-,20-,21-,22-,23-/m0/s1