(4S)-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[( Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenyl IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-5-keto-valeric acid Formula: C79H135N21O19 MolecularWeight: 1683.0465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(CCCN)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C79H135N21O19/c1-45(2)39-59(96-73(112)58(30-31-65(103)104)94-69(108)55(23-14-36-84)93-77(116)62(42-48-17-8-7-9-18-48)98-76(115)61(41-47(5)6)95-70(109)52(20-11-33-81)88-66(105)51(87)19-10-32-80)74(113)91-54(22-13-35-83)68(107)90-57(25-16-38-86)72(111)100-64(44-101)78(117)97-60(40-46(3)4)75(114)92-53(21-12-34-82)67(106)89-56(24-15-37-85)71(110)99-63(79(118)119)43-49-26-28-50(102)29-27-49/h7-9,17-18,26-29,45-47,51-64,101-102H,10-16,19-25,30-44,80-87H2,1-6H3,(H,88,105)(H,89,106)(H,90,107)(H,91,113)(H,92,114)(H,93,116)(H,94,108)(H,95,109)(H,96,112)(H,97,117)(H,98,115)(H,99,110)(H,100,111)(H,103,104)(H,118,119)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1