(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2R)-2-[[(2S)-1-[(2S)-2,5-bis(azanyl)pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2R)-2-[[(2S)-1-[(2S)-2,5-bis(azanyl)pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[[(2S)-1-[(2S)-2,5-diamino-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-mercapto-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-(4-ethoxyphenyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2,5-diaminopentanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-1-[(2S)-2,5-diaminopentanoyl]prolyl]amino]-3-mercapto-propanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-p-phenetyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C41H66N10O12S2 MolecularWeight: 955.15254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC)C(=O)NC(CS)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)C2CCCN2C(=O)C(CCCN)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN)N

InChI

InChI=1S/C41H66N10O12S2/c1-5-21(3)32(38(58)46-26(34(54)48-29(20-65)41(61)62)17-23-11-13-24(14-12-23)63-6-2)49-39(59)33(22(4)52)50-35(55)27(18-31(44)53)45-36(56)28(19-64)47-37(57)30-10-8-16-51(30)40(60)25(43)9-7-15-42/h11-14,21-22,25-30,32-33,52,64-65H,5-10,15-20,42-43H2,1-4H3,(H2,44,53)(H,45,56)(H,46,58)(H,47,57)(H,48,54)(H,49,59)(H,50,55)(H,61,62)/t21-,22+,25-,26-,27-,28-,29-,30-,32-,33-/m0/s1