(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid Formula: C45H68N10O12S MolecularWeight: 973.14622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C45H68N10O12S/c1-26(2)20-31(47)40(61)48-24-38(59)51-34(21-28-10-6-5-7-11-28)41(62)49-23-37(58)50-27(3)39(60)54-35(22-29-13-15-30(57)16-14-29)43(64)52-32(17-19-68-4)42(63)55-36(25-56)44(65)53-33(45(66)67)12-8-9-18-46/h5-7,10-11,13-16,26-27,31-36,56-57H,8-9,12,17-25,46-47H2,1-4H3,(H,48,61)(H,49,62)(H,50,58)(H,51,59)(H,52,64)(H,53,65)(H,54,60)(H,55,63)(H,66,67)/t27-,31-,32-,33-,34-,35-,36-/m0/s1