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

Systemtic Name: (2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]propionic acid Formula: C44H72N10O12 MolecularWeight: 933.10228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H72N10O12/c1-10-25(8)37(43(64)50-30(15-16-33(46)56)39(60)47-20-34(57)49-26(9)44(65)66)53-35(58)21-48-42(63)36(24(6)7)54-41(62)32(18-23(4)5)52-40(61)31(17-22(2)3)51-38(59)29(45)19-27-11-13-28(55)14-12-27/h11-14,22-26,29-32,36-37,55H,10,15-21,45H2,1-9H3,(H2,46,56)(H,47,60)(H,48,63)(H,49,57)(H,50,64)(H,51,59)(H,52,61)(H,53,58)(H,54,62)(H,65,66)/t25-,26-,29-,30-,31-,32-,36-,37-/m0/s1