(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Formula: C48H82N12O12 MolecularWeight: 1019.23788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C48H82N12O12/c1-8-27(5)39(46(69)55-33(14-10-12-22-49)43(66)59-38(26(3)4)45(68)56-34(48(71)72)15-11-13-23-50)58-37(63)25-53-41(64)29(7)54-44(67)35(24-30-16-18-31(61)19-17-30)57-47(70)40(28(6)9-2)60-42(65)32(51)20-21-36(52)62/h16-19,26-29,32-35,38-40,61H,8-15,20-25,49-51H2,1-7H3,(H2,52,62)(H,53,64)(H,54,67)(H,55,69)(H,56,68)(H,57,70)(H,58,63)(H,59,66)(H,60,65)(H,71,72)/t27-,28-,29-,32-,33-,34-,35-,38-,39-,40-/m0/s1