Primary record
CDR1.AME(23-28)
- CAS
- 176434-87-0
- PubChem CID
- 16133970
- SMILES
- CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N1)CO)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)CC4=CNC5=CC=CC=C54)CC6=CN=CN6)CC7=CC=CC=C7)CCC(=O)N
- Molecular Formula
- C64H78N14O14S2
- Molecular Weight
- 1331.546
- Exact Mass
- 1330.5263
- InChI
- InChI=1S/C64H78N14O14S2/c1-3-35(2)54-63(90)70-45(22-23-53(66)81)56(83)71-46(25-37-14-8-5-9-15-37)57(84)73-48(28-40-30-67-34-69-40)59(86)72-47(27-39-29-68-44-17-11-10-16-42(39)44)58(85)77-52(61(88)74-49(64(91)92)26-38-18-20-41(80)21-19-38)33-94-93-32-51(62(89)75-50(31-79)60(87)78-54)76-55(82)43(65)24-36-12-6-4-7-13-36/h4-21,29-30,34-35,43,45-52,54,68,79-80H,3,22-28,31-33,65H2,1-2H3,(H2,66,81)(H,67,69)(H,70,90)(H,71,83)(H,72,86)(H,73,84)(H,74,88)(H,75,89)(H,76,82)(H,77,85)(H,78,87)(H,91,92)/t35-,43-,45-,46-,47-,48-,49-,50-,51+,52-,54-/m0/s1
- InChIKey
- GQWNXKZRPOGBFR-VHSSKWHSSA-N
- LogP
- -0.4161
- TPSA
- 453.24
Names and synonyms
- CDR1.AME(23-28)
- DTXSID60170137
- FCSIQFHWCY (Cyclized/Cysteine-oxidized)
- 176434-87-0
- L-Tyrosine, L-phenylalanyl-L-cysteinyl-L-seryl-L-isoleucyl-L-glutaminyl-L-phenylalanyl-L-histidyl-L-tryptophyl-L-cysteinyl-, cyclic (2==>9)-disulfide
- N-[(4R,7S,10S,13S,16S,19S,22S,25S)-16-(3-Amino-3-oxopropyl)-13-benzyl-19-[(2S)-butan-2-yl]-22-(hydroxymethyl)-10-[(1H-imidazol-5-yl)methyl]-7-[(1H-indol-3-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-25-(L-phenylalanylamino)-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]-L-tyrosine