methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4S,5R)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4S,5R)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4S,5R)-5-[[(1S)-1-benzyl-2-[[(1S)-1-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxolanyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxolane-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4S,5R)-5-[[(1S)-1-benzyl-2-keto-2-[[(1S)-1-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]ethyl]carbamoyl]-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propionic acid methyl ester Formula: C44H62N6O13 MolecularWeight: 882.99548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(C(C(O2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)OC)O)O

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]2[C@H]([C@@H]([C@@H](O2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)OC)O)O

InChI

InChI=1S/C44H62N6O13/c1-23(2)19-29(37(53)45-25(5)43(59)61-7)47-39(55)31(21-27-15-11-9-12-16-27)49-41(57)35-33(51)34(52)36(63-35)42(58)50-32(22-28-17-13-10-14-18-28)40(56)48-30(20-24(3)4)38(54)46-26(6)44(60)62-8/h9-18,23-26,29-36,51-52H,19-22H2,1-8H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t25-,26-,29-,30-,31-,32-,33-,34-,35+,36+/m0/s1