(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[2-(2-azanylethanoylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[2-(2-azanylethanoylamino)ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[[(2S)-1-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[2-(glycylamino)acetyl]prolyl]amino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-3-hydroxy-propionic acid Formula: C40H59N11O15 MolecularWeight: 933.96116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)CNC(=O)CN

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CN

InChI

InChI=1S/C40H59N11O15/c1-21(33(58)47-25(18-52)36(61)48-26(19-53)39(64)51-14-6-10-29(51)38(63)49-27(20-54)40(65)66)44-34(59)23(11-12-30(42)55)45-35(60)24(15-22-7-3-2-4-8-22)46-37(62)28-9-5-13-50(28)32(57)17-43-31(56)16-41/h2-4,7-8,21,23-29,52-54H,5-6,9-20,41H2,1H3,(H2,42,55)(H,43,56)(H,44,59)(H,45,60)(H,46,62)(H,47,58)(H,48,61)(H,49,63)(H,65,66)/t21-,23-,24-,25-,26-,27-,28-,29-/m0/s1