(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(E)-3-(4-hydroxyphenyl)-2-[methyl-[(2S,3R)-3-oxidanyl-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]butanoyl]amino]prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(E)-3-(4-hydroxyphenyl)-2-[methyl-[(2S,3R)-3-oxidanyl-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]butanoyl]amino]prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]butanoyl]-methyl-amino]-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[(E)-1-oxo-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enyl]amino]butyl]-methylamino]-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]butanoyl]-methylamino]-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3R)-3-hydroxy-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]acryloyl]amino]butanoyl]-methyl-amino]-3-(4-hydroxyphenyl)acryloyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propionic acid Formula: C54H70N8O14 MolecularWeight: 1055.1788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CC=CC=C1C=CC(=O)NC(C(C)O)C(=O)N(C)C(=CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCC/C=C\C1=CC=CC=C1/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)/C(=C/C2=CC=C(C=C2)O)/C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C54H70N8O14/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(68)60-47(33(5)65)53(74)62(6)43(28-35-20-23-38(66)24-21-35)51(72)57-39(26-31(2)3)48(69)56-40(27-34-15-11-9-12-16-34)50(71)61-46(32(4)64)52(73)58-41(29-44(55)67)49(70)59-42(30-63)54(75)76/h9-25,28,31-33,39-42,46-47,63-66H,7-8,26-27,29-30H2,1-6H3,(H2,55,67)(H,56,69)(H,57,72)(H,58,73)(H,59,70)(H,60,68)(H,61,71)(H,75,76)/b17-10-,25-22+,43-28+/t32-,33+,39-,40+,41-,42-,46-,47-/m0/s1