MF: C59H91N17O21
MW: 1374.5g/mol
IUPAC Name: acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;tetrahydrate
Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC4=CC=CC=C4N3)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O.CC(=O)O.O.O.O.O
InChIKey: QZBIKDNLZRFYMZ-KYOBJPNESA-N
InChI: InChI=1S/C55H75N17O13.2C2H4O2.4H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)61-25-44(56)75)66-46(77)26-62-47(78)39(20-30-11-13-34(74)14-12-30)68-52(83)42(27-73)71-51(82)40(22-32-21-31-7-3-4-8-35(31)64-32)70-50(81)41(23-33-24-59-28-63-33)69-48(79)36-15-16-45(76)65-36;2*1-2(3)4;;;;/h3-4,7-8,11-14,21,24,28-29,36-43,64,73-74H,5-6,9-10,15-20,22-23,25-27H2,1-2H3,(H2,56,75)(H,59,63)(H,61,84)(H,62,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,57,58,60);2*1H3,(H,3,4);4*1H2/t36-,37-,38-,39-,40-,41-,42-,43-;;;;;;/m0……/s1
