(3S)-3-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]butanoic acid

Systemtic Name: (3S)-3-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]butanoic acid Openeye Name: (3S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-4-[(2S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: (3S)-3-[[[(2S)-1-[(2S)-5-amino-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[(2S)-2-[[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-[(2S)-2-[[(2S)-1-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]prolyl]prolyl]amino]-5-keto-pentanoyl]prolyl]amino]-4-[(2S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C71H89N15O17 MolecularWeight: 1424.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CC9=CNC1=CC=CC=C19)NC(=O)C(CO)N

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CO)N

InChI

InChI=1S/C71H89N15O17/c1-39(71(102)103)76-62(93)53-20-9-28-83(53)69(100)52(35-59(89)90)81-65(96)54-21-10-27-82(54)66(97)48(25-26-58(73)88)77-63(94)56-23-12-30-85(56)70(101)57-24-13-31-86(57)67(98)50(32-40-14-3-2-4-15-40)80-64(95)55-22-11-29-84(55)68(99)51(34-42-37-75-47-19-8-6-17-44(42)47)79-61(92)49(78-60(91)45(72)38-87)33-41-36-74-46-18-7-5-16-43(41)46/h2-8,14-19,36-37,39,45,48-57,74-75,87H,9-13,20-35,38,72H2,1H3,(H2,73,88)(H,76,93)(H,77,94)(H,78,91)(H,79,92)(H,80,95)(H,81,96)(H,89,90)(H,102,103)/t39-,45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1