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(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[4-[2,2-bis(chloranyl)ethenoxysulfonyloxy]phenyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[4-[2,2-bis(chloranyl)ethenoxysulfonyloxy]phenyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-1-[[4-(2,2-dichlorovinyloxysulfonyloxy)phenyl]methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(2,2-dichloroethenoxysulfonyloxy)phenyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(2,2-dichloroethenoxysulfonyloxy)phenyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-4-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-1-[4-(2,2-dichlorovinyloxysulfonyloxy)benzyl]-2-keto-ethyl]amino]-5-keto-valeric acid
Formula:	C₅₉H₆₉Cl₂N₉O₂₁S
MolecularWeight:	1343.19786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)OS(=O)(=O)OC=C(Cl)Cl)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)OC=C(Cl)Cl)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C

InChI

InChI=1S/C59H69Cl2N9O21S/c1-31(2)23-42(54(82)69-47(29-51(78)79)59(87)68-45(26-35-11-17-38(73)18-12-35)57(85)70-46(28-50(76)77)58(86)65-41(52(62)80)24-33-7-5-4-6-8-33)66-56(84)44(27-36-13-19-39(20-14-36)91-92(88,89)90-30-48(60)61)67-53(81)40(21-22-49(74)75)64-55(83)43(63-32(3)71)25-34-9-15-37(72)16-10-34/h4-20,30-31,40-47,72-73H,21-29H2,1-3H3,(H2,62,80)(H,63,71)(H,64,83)(H,65,86)(H,66,84)(H,67,81)(H,68,87)(H,69,82)(H,70,85)(H,74,75)(H,76,77)(H,78,79)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

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