(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[2-[[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[2-[[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[[(2S)-1-[(2S)-2-amino-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]prolyl]amino]acetyl]amino]-3-mercapto-propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C48H71N9O11S2 MolecularWeight: 1014.26104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)CNC(=O)C3CCCN3C(=O)C(CC(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C48H71N9O11S2/c1-6-29(4)40(46(65)54-35(48(67)68)24-31-16-11-8-12-17-31)56-43(62)36(26-58)55-42(61)34(23-30-14-9-7-10-15-30)53-41(60)33(19-21-70-5)52-44(63)37(27-69)51-39(59)25-50-45(64)38-18-13-20-57(38)47(66)32(49)22-28(2)3/h7-12,14-17,28-29,32-38,40,58,69H,6,13,18-27,49H2,1-5H3,(H,50,64)(H,51,59)(H,52,63)(H,53,60)(H,54,65)(H,55,61)(H,56,62)(H,67,68)/t29-,32-,33-,34-,35-,36-,37-,38-,40-/m0/s1