(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-(methylthio)butyric acid Formula: C48H75N11O12S MolecularWeight: 1030.2406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H75N11O12S/c1-26(2)39(58-41(63)27(3)53-43(65)34(50)14-10-11-20-49)46(68)57-37(23-31-15-17-33(61)18-16-31)45(67)55-32(24-38(51)62)25-52-36(22-30-12-8-7-9-13-30)44(66)54-28(4)42(64)59-40(29(5)60)47(69)56-35(48(70)71)19-21-72-6/h7-9,12-13,15-18,26-29,32,34-37,39-40,52,60-61H,10-11,14,19-25,49-50H2,1-6H3,(H2,51,62)(H,53,65)(H,54,66)(H,55,67)(H,56,69)(H,57,68)(H,58,63)(H,59,64)(H,70,71)/t27-,28-,29+,32-,34-,35-,36-,37-,39-,40-/m0/s1