(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propionic acid Formula: C51H68N10O13 MolecularWeight: 1029.14482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C51H68N10O13/c1-29(2)23-39(59-45(67)35(52)24-33-16-18-34(63)19-17-33)50(72)61-22-10-15-41(61)49(71)54-27-43(65)56-36(20-21-42(53)64)46(68)58-37(25-31-11-6-4-7-12-31)47(69)55-30(3)44(66)57-38(26-32-13-8-5-9-14-32)48(70)60-40(28-62)51(73)74/h4-9,11-14,16-19,29-30,35-41,62-63H,10,15,20-28,52H2,1-3H3,(H2,53,64)(H,54,71)(H,55,69)(H,56,65)(H,57,66)(H,58,68)(H,59,67)(H,60,70)(H,73,74)/t30-,35-,36-,37-,38-,39-,40-,41-/m0/s1